B2QYF7 -OEChem-04022117133D 36 38 0 0 0 0 0 0 0999 V2000 2.2964 -1.6172 -1.7941 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 -1.7983 -0.6701 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 1.0148 0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5343 1.0918 1.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 -0.5110 0.4441 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.5631 -1.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -1.3443 -2.2185 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 -0.6470 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 0.3945 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9471 -0.6659 1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3017 0.3542 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -1.7129 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 1.4751 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -0.7263 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5328 -1.7524 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8446 1.3957 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -1.0724 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 2.5012 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0477 2.4616 -1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -0.6542 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6965 -0.1708 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 0.6827 0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 1.8641 1.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 0.3051 1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -1.3852 2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -2.5236 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 1.5560 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 -0.7781 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1527 -2.5827 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8957 1.3855 -1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 3.3313 -1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 3.2607 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 0.0714 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 2.0278 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 1.3820 2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 2.8291 1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 22 2 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$